|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 30.862 | 39.999 | -9.137 |
| C5H5N | Pyridine | 7.860 | 9.493 | -1.634 |
| CH3SCH3 | Dimethyl sulfide | 6.037 | 7.550 | -1.513 |
| CCl4 | Carbon tetrachloride | 8.617 | 10.002 | -1.385 |
| C6H14 | Hexane | 10.079 | 11.447 | -1.368 |
| C5H12 | Pentane | 8.417 | 9.579 | -1.162 |
| C2H2 | Acetylene | 2.412 | 3.487 | -1.074 |
| C3H6 | Cyclopropane | 4.569 | 5.640 | -1.071 |
| H2S | Hydrogen sulfide | 2.589 | 3.631 | -1.041 |
| C2H4 | Ethylene | 3.167 | 4.188 | -1.021 |
| CH3Br | methyl bromide | 4.591 | 5.610 | -1.019 |
| CH2F2 | Methane, difluoro- | 2.187 | 3.200 | -1.013 |
| CH3OCH3 | Dimethyl ether | 4.168 | 5.160 | -0.992 |
| CH3Cl | Methyl chloride | 3.426 | 4.416 | -0.989 |
| CH3CH2OH | Ethanol | 4.131 | 5.112 | -0.982 |
| CH3CH2CH2CH3 | Butane | 6.725 | 7.688 | -0.963 |
| CF2Cl2 | difluorodichloromethane | 5.420 | 6.370 | -0.950 |
| CH3CH2CH2CH3 | Butane | 6.775 | 7.688 | -0.913 |
| CF3Cl | Methane, chlorotrifluoro- | 3.837 | 4.740 | -0.904 |
| CFCl3 | Trichloromonofluoromethane | 7.034 | 7.931 | -0.897 |
| CH2CCH2 | allene | 4.824 | 5.690 | -0.866 |
| CH3COCH3 | Acetone | 5.265 | 6.096 | -0.832 |
| HCl | Hydrogen chloride | 1.716 | 2.515 | -0.799 |
| CH3NHCH3 | Dimethylamine | 4.670 | 5.447 | -0.777 |
| C3H8 | Propane | 5.149 | 5.921 | -0.772 |
| N(CH3)3 | Trimethylamine | 6.325 | 7.076 | -0.751 |
| CH3NH2 | methyl amine | 3.005 | 3.754 | -0.749 |
| NO2 | Nitrogen dioxide | 2.181 | 2.910 | -0.729 |
| NH3 | Ammonia | 1.402 | 2.103 | -0.700 |
| HCOOH | Formic acid | 2.632 | 3.319 | -0.688 |
| C2H6 | Ethane | 3.548 | 4.226 | -0.678 |
| H2CO | Formaldehyde | 2.101 | 2.770 | -0.669 |
| N2O | Nitrous oxide | 2.347 | 2.998 | -0.651 |
| H2O | Water | 0.936 | 1.501 | -0.566 |
| CH3OH | Methyl alcohol | 2.515 | 3.081 | -0.565 |
| CH3CHO | Acetaldehyde | 3.721 | 4.278 | -0.557 |
| CH4 | Methane | 1.958 | 2.448 | -0.490 |
| CF4 | Carbon tetrafluoride | 2.361 | 2.824 | -0.463 |
| CH3F | Methyl fluoride | 2.081 | 2.540 | -0.459 |
| CO2 | Carbon dioxide | 2.058 | 2.507 | -0.450 |
| NO | Nitric oxide | 1.277 | 1.698 | -0.421 |
| HD | Deuterium hydride | 0.372 | 0.791 | -0.419 |
| H2 | Hydrogen diatomic | 0.372 | 0.787 | -0.416 |
| CO | Carbon monoxide | 1.541 | 1.953 | -0.412 |
| D2 | Deuterium diatomic | 0.372 | 0.783 | -0.411 |
| O2 | Oxygen diatomic | 1.183 | 1.562 | -0.379 |
| N2 | Nitrogen diatomic | 1.395 | 1.710 | -0.315 |
| SO2 | Sulfur dioxide | 3.070 | 3.219 | -0.149 |